2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid

C15H19NO3 — CID 43341278

IUPAC2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
SMILESCCc1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-4-6-11(7-5-10)13(17)16-15(2,14(18)19)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHBWCELKINRVNFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid

2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid (PubChem CID 43341278) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
PubChem CID43341278
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid
SMILESCCc1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-3-10-4-6-11(7-5-10)13(17)16-15(2,14(18)19)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHBWCELKINRVNFB-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
2-cyclopropyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 138999557
2-cyclopropyl-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283788
N-(2-cyanopropan-2-yl)-4-ethylbenzamide
CID 60967523
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid (CID 43341278) is 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid is CCc1ccc(C(=O)NC(C)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid?
The InChIKey is HBWCELKINRVNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-10-4-6-11(7-5-10)13(17)16-15(2,14(18)19)12-8-9-12/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid?
2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-ethylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 43341278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).